tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate

C25H36N2O4 — CID 90836588

IUPACtert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate
SMILESCOCCOCc1ccc2ccc(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc2c1
InChIInChI=1S/C25H36N2O4/c1-25(2,3)31-24(28)26-23-9-11-27(12-10-23)17-19-5-7-21-8-6-20(16-22(21)15-19)18-30-14-13-29-4/h5-8,15-16,23H,9-14,17-18H2,1-4H3,(H,26,28)
InChIKeyCSFWXSBYKXWLQC-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.49
Rot. Bonds8

About tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate (PubChem CID 90836588) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate
PubChem CID90836588
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Nametert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate
SMILESCOCCOCc1ccc2ccc(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc2c1
InChIInChI=1S/C25H36N2O4/c1-25(2,3)31-24(28)26-23-9-11-27(12-10-23)17-19-5-7-21-8-6-20(16-22(21)15-19)18-30-14-13-29-4/h5-8,15-16,23H,9-14,17-18H2,1-4H3,(H,26,28)
InChIKeyCSFWXSBYKXWLQC-UHFFFAOYSA-N
XLogP4.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate (CID 90836588) is tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate is COCCOCc1ccc2ccc(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc2c1.
What is the InChIKey of tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate?
The InChIKey is CSFWXSBYKXWLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-25(2,3)31-24(28)26-23-9-11-27(12-10-23)17-19-5-7-21-8-6-20(16-22(21)15-19)18-30-14-13-29-4/h5-8,15-16,23H,9-14,17-18H2,1-4H3,(H,26,28).
What are the key properties of tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate has a molecular weight of 428.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 90836588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).